4-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Chemical Structure Depiction of
4-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
4-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one
Compound characteristics
| Compound ID: | D584-4756 |
| Compound Name: | 4-{2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2-phenyl-4,5,6,7-tetrahydro-8H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-one |
| Molecular Weight: | 468.56 |
| Molecular Formula: | C27 H28 N6 O2 |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)C(CN1C2CCCC=2C(n2c1nc(c1ccccc1)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5273 |
| logD: | 3.5272 |
| logSw: | -3.6475 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.603 |
| InChI Key: | WBXUBNNKUHEJAD-UHFFFAOYSA-N |